==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-MAR-07 2PC5 . COMPND 2 MOLECULE: DUTP PYROPHOSPHATASE-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR H.MORIYAMA,M.BAJAJ . 380 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15608.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 247 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 129 33.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 48 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 6 6 7 3 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 4 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 26 A S 0 0 151 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 106.6 -6.3 32.5 -12.5 2 27 A P + 0 0 70 0, 0.0 2,-0.3 0, 0.0 50,-0.0 -0.423 360.0 178.9 -69.2 154.6 -4.2 30.3 -10.1 3 28 A F - 0 0 70 370,-0.1 2,-0.3 -2,-0.1 372,-0.1 -0.937 23.8-153.7-144.3 168.0 -2.9 26.9 -11.3 4 29 A F E -a 375 0A 0 370,-0.5 372,-2.2 -2,-0.3 2,-0.4 -0.818 18.6-167.5-145.6 101.5 -0.9 24.2 -9.9 5 30 A K E -aB 376 51A 47 46,-2.5 46,-2.2 -2,-0.3 2,-0.4 -0.802 4.4-171.9 -93.2 131.5 0.9 22.1 -12.6 6 31 A V E -aB 377 50A 0 370,-2.3 372,-2.4 -2,-0.4 2,-0.5 -0.986 10.3-168.5-127.7 134.5 2.5 18.8 -11.7 7 32 A K E - B 0 49A 66 42,-2.9 42,-2.1 -2,-0.4 2,-0.3 -0.990 20.4-136.0-114.9 120.1 4.7 16.5 -13.8 8 33 A K E - B 0 48A 59 -2,-0.5 40,-0.2 370,-0.4 3,-0.1 -0.617 11.8-167.9 -69.2 132.6 5.5 13.0 -12.6 9 34 A L S S+ 0 0 79 38,-3.5 2,-0.3 -2,-0.3 39,-0.2 0.645 73.9 6.7-100.2 -17.7 9.2 12.2 -13.1 10 35 A S S > S- 0 0 37 37,-0.8 3,-1.5 1,-0.0 -1,-0.2 -0.972 77.8-103.8-148.6 169.9 8.5 8.5 -12.3 11 36 A E T 3 S+ 0 0 168 -2,-0.3 36,-0.0 1,-0.2 -3,-0.0 0.536 115.5 69.3 -69.9 -6.4 5.7 6.0 -11.7 12 37 A K T 3 S+ 0 0 94 2,-0.1 -1,-0.2 35,-0.0 92,-0.2 0.618 80.1 98.1 -80.8 -18.9 6.7 6.2 -8.0 13 38 A A < - 0 0 5 -3,-1.5 2,-0.4 34,-0.2 34,-0.1 -0.373 62.2-150.1 -67.4 150.0 5.4 9.9 -7.7 14 39 A V - 0 0 64 32,-0.4 15,-0.3 15,-0.3 3,-0.1 -0.991 22.4-113.6-124.7 130.8 1.9 10.5 -6.3 15 40 A I - 0 0 37 -2,-0.4 12,-0.1 1,-0.1 362,-0.0 -0.477 40.5-113.5 -60.4 123.5 -0.2 13.5 -7.4 16 41 A P - 0 0 3 0, 0.0 2,-0.3 0, 0.0 359,-0.2 -0.335 39.1-169.2 -62.5 141.7 -0.5 15.8 -4.3 17 42 A T E -C 27 0B 85 10,-0.5 10,-3.0 357,-0.1 2,-0.4 -0.947 19.8-122.9-135.1 153.4 -4.0 16.1 -3.0 18 43 A R E -C 26 0B 66 -2,-0.3 8,-0.2 8,-0.2 91,-0.0 -0.831 12.8-144.1 -98.9 135.3 -5.8 18.2 -0.5 19 44 A G S S+ 0 0 66 6,-0.5 -1,-0.1 -2,-0.4 7,-0.1 0.881 76.2 6.0 -65.0 -43.4 -7.6 16.7 2.5 20 45 A S S > S- 0 0 38 1,-0.1 3,-1.5 0, 0.0 -1,-0.0 -0.876 81.6 -96.4-139.3 164.7 -10.6 19.0 2.8 21 46 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.822 126.2 39.0 -50.7 -37.1 -12.2 21.9 1.0 22 47 A L T 3 S+ 0 0 43 287,-0.1 314,-1.1 313,-0.1 315,-0.2 0.387 82.9 134.1-104.7 11.1 -10.5 24.3 3.2 23 48 A S < - 0 0 7 -3,-1.5 -5,-0.0 312,-0.2 311,-0.0 -0.312 48.0-148.5 -51.0 133.4 -7.0 22.6 3.6 24 49 A A S S+ 0 0 0 289,-0.1 88,-0.5 87,-0.1 2,-0.2 0.832 72.3 44.2 -71.8 -32.5 -4.1 24.9 3.2 25 50 A G - 0 0 0 86,-0.1 -6,-0.5 308,-0.1 2,-0.5 -0.708 68.2-127.1-127.1 164.8 -1.9 22.3 1.7 26 51 A Y E -CD 18 110B 5 84,-2.7 84,-3.5 -2,-0.2 -8,-0.2 -0.915 40.7-117.2-102.6 126.3 -1.4 19.4 -0.7 27 52 A D E -CD 17 109B 22 -10,-3.0 -10,-0.5 -2,-0.5 2,-0.4 -0.425 24.8-148.5 -64.9 136.7 0.0 16.3 0.9 28 53 A L E - D 0 108B 2 80,-2.8 79,-2.9 -12,-0.1 80,-1.1 -0.919 9.1-157.2-109.1 135.7 3.5 15.1 -0.4 29 54 A S E - D 0 106B 17 -2,-0.4 -15,-0.3 -15,-0.3 77,-0.2 -0.855 22.9-109.6-113.3 142.9 4.4 11.4 -0.5 30 55 A S - 0 0 0 75,-2.7 74,-3.2 -2,-0.3 16,-0.2 -0.533 15.6-159.7 -64.3 130.5 7.9 9.9 -0.5 31 56 A A S S+ 0 0 1 14,-2.5 2,-0.3 -2,-0.2 15,-0.1 0.307 76.0 47.6 -84.8 1.2 8.8 8.3 -3.9 32 57 A V S S- 0 0 40 13,-0.4 2,-0.5 70,-0.2 73,-0.2 -0.917 83.7-111.8-137.4 160.7 11.5 6.2 -2.0 33 58 A D + 0 0 103 -2,-0.3 2,-0.3 69,-0.2 69,-0.2 -0.849 61.7 132.9 -84.3 132.2 12.1 4.0 1.0 34 59 A S E -H 101 0C 40 67,-3.7 67,-3.0 -2,-0.5 2,-0.3 -0.877 42.0-127.8-158.4-169.4 14.4 6.0 3.2 35 60 A K E -H 100 0C 92 65,-0.3 65,-0.2 -2,-0.3 6,-0.1 -0.991 11.2-136.5-150.3 154.4 15.1 7.2 6.8 36 61 A V E -H 99 0C 0 63,-3.2 63,-2.6 -2,-0.3 6,-0.1 -0.945 37.6-131.9-107.3 108.9 15.8 10.4 8.7 37 62 A P > - 0 0 50 0, 0.0 3,-2.3 0, 0.0 56,-0.3 -0.264 33.7 -85.3 -59.6 144.4 18.7 9.4 11.1 38 63 A A T 3 S+ 0 0 30 1,-0.3 58,-0.2 58,-0.2 60,-0.1 -0.210 116.0 1.1 -40.6 131.0 18.3 10.4 14.8 39 64 A R T 3 S+ 0 0 53 56,-1.6 -1,-0.3 54,-0.6 2,-0.1 0.658 123.5 90.2 56.5 21.1 19.6 14.1 15.2 40 65 A G < - 0 0 17 -3,-2.3 53,-2.6 55,-0.1 2,-0.3 -0.338 68.5-115.7-129.9-155.7 20.3 14.2 11.4 41 66 A K E -I 92 0D 57 51,-0.2 2,-0.3 -2,-0.1 51,-0.2 -0.884 15.1-165.4-148.9 159.2 18.7 15.1 8.1 42 67 A A E -I 91 0D 11 49,-1.5 49,-2.5 -2,-0.3 2,-0.5 -0.970 19.9-136.4-148.6 154.7 17.5 13.5 4.8 43 68 A L E -I 90 0D 74 -2,-0.3 47,-0.2 47,-0.2 -2,-0.0 -0.990 25.9-164.4-107.5 121.0 16.5 14.7 1.4 44 69 A I E -I 89 0D 0 45,-2.6 45,-2.9 -2,-0.5 2,-0.1 -0.947 13.2-134.8-112.3 114.6 13.5 12.7 0.3 45 70 A P E -I 88 0D 43 0, 0.0 -14,-2.5 0, 0.0 -13,-0.4 -0.363 16.3-169.4 -68.1 142.6 12.5 12.8 -3.4 46 71 A T - 0 0 1 41,-1.8 -32,-0.4 -16,-0.2 42,-0.1 0.564 32.3-133.8 -99.9 -24.2 9.0 13.3 -4.4 47 72 A D + 0 0 39 40,-0.5 -38,-3.5 1,-0.3 -37,-0.8 0.801 67.7 122.8 55.4 34.2 9.7 12.4 -8.2 48 73 A L E -B 8 0A 3 39,-0.5 39,-3.0 -40,-0.2 2,-0.3 -0.909 47.5-168.0-116.7 149.0 7.7 15.5 -8.9 49 74 A S E -B 7 0A 5 -42,-2.1 -42,-2.9 -2,-0.3 2,-0.3 -0.956 23.6-176.6-122.5 151.5 8.4 18.7 -10.9 50 75 A I E -B 6 0A 4 35,-0.4 2,-0.3 33,-0.4 -44,-0.2 -0.834 22.6-151.5-141.8 166.2 5.8 21.5 -10.5 51 76 A A E -B 5 0A 1 -46,-2.2 -46,-2.5 -2,-0.3 31,-0.1 -0.955 14.2-179.0-143.0 136.3 4.9 25.0 -11.6 52 77 A V - 0 0 2 29,-1.0 -48,-0.2 -2,-0.3 4,-0.1 -0.823 36.4 -80.7-124.1 164.6 2.9 27.6 -9.7 53 78 A P > - 0 0 14 0, 0.0 3,-1.2 0, 0.0 28,-0.1 -0.257 43.3 -99.0 -68.3 146.4 1.8 31.1 -10.7 54 79 A E T 3 S+ 0 0 143 1,-0.2 3,-0.1 27,-0.1 97,-0.1 -0.407 114.3 44.2 -45.6 138.6 3.8 34.3 -10.7 55 80 A G T 3 S+ 0 0 27 1,-0.4 60,-2.2 96,-0.2 2,-0.3 0.557 112.1 63.7 86.8 8.0 2.9 36.1 -7.4 56 81 A T E < -E 114 0B 6 -3,-1.2 25,-0.5 58,-0.3 -1,-0.4 -0.922 59.9-158.0-142.9 169.2 3.2 32.8 -5.4 57 82 A Y E -EF 113 80B 0 56,-1.3 56,-1.7 -2,-0.3 2,-0.6 -0.944 28.5-113.8-139.0 164.2 5.7 30.2 -4.3 58 83 A A E -EF 112 79B 0 21,-2.3 21,-2.6 -2,-0.3 2,-0.6 -0.852 31.2-156.5 -92.5 117.2 5.2 26.6 -3.2 59 84 A R E -EF 111 78B 24 52,-3.7 52,-2.7 -2,-0.6 2,-0.7 -0.878 10.9-140.5 -95.4 123.8 6.2 26.3 0.4 60 85 A I E -E 110 0B 5 17,-3.2 50,-0.2 -2,-0.6 14,-0.1 -0.752 35.6-177.1 -76.1 118.2 7.1 22.8 1.6 61 86 A A E -E 109 0B 0 48,-3.3 48,-2.6 -2,-0.7 2,-0.1 -0.819 23.1 -96.7-124.7 153.1 5.6 22.8 5.0 62 87 A P - 0 0 9 0, 0.0 2,-0.4 0, 0.0 271,-0.3 -0.351 21.5-130.7 -73.0 143.8 5.4 20.3 8.0 63 88 A R > - 0 0 47 44,-0.4 4,-1.5 1,-0.1 268,-0.3 -0.753 17.8-140.9 -79.2 141.9 2.8 17.8 9.0 64 89 A S H > S+ 0 0 75 -2,-0.4 4,-2.9 2,-0.2 5,-0.3 0.845 97.7 57.0 -76.4 -35.8 1.9 18.2 12.6 65 90 A G H > S+ 0 0 31 1,-0.2 4,-3.3 2,-0.2 5,-0.4 0.969 108.6 46.7 -61.1 -48.2 1.6 14.4 13.3 66 91 A L H > S+ 0 0 25 2,-0.2 4,-2.1 1,-0.2 6,-1.7 0.894 112.0 52.2 -59.5 -44.2 5.1 13.8 12.1 67 92 A A H X S+ 0 0 0 -4,-1.5 4,-1.7 4,-0.3 -2,-0.2 0.966 118.9 34.9 -51.5 -58.6 6.3 16.8 14.2 68 93 A W H < S+ 0 0 99 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.926 124.7 38.9 -66.5 -46.9 4.7 15.5 17.4 69 94 A K H < S+ 0 0 145 -4,-3.3 -3,-0.2 -5,-0.3 -1,-0.2 0.859 136.5 14.8 -77.1 -31.8 5.1 11.8 17.0 70 95 A H H < S- 0 0 71 -4,-2.1 -3,-0.2 -5,-0.4 25,-0.2 0.390 93.3-118.0-124.4 2.1 8.6 11.8 15.5 71 96 A S < + 0 0 5 -4,-1.7 23,-2.8 -5,-0.3 2,-0.4 0.798 58.4 162.5 55.4 31.3 10.1 15.3 16.1 72 97 A I E +J 93 0D 3 -6,-1.7 259,-0.3 21,-0.2 2,-0.3 -0.649 15.0 180.0 -80.1 131.4 10.3 15.7 12.3 73 98 A D E -J 92 0D 10 19,-2.5 19,-3.0 -2,-0.4 2,-0.5 -0.943 27.4-121.4-125.6 151.6 10.7 19.2 10.8 74 99 A V E -J 91 0D 12 -2,-0.3 17,-0.2 17,-0.2 2,-0.2 -0.862 26.7-164.4 -88.7 123.2 10.9 20.5 7.2 75 100 A G E +J 90 0D 0 15,-2.0 15,-0.6 -2,-0.5 127,-0.1 -0.473 64.2 1.0 -93.6 172.3 14.2 22.4 6.3 76 101 A A + 0 0 12 125,-0.3 3,-0.1 116,-0.3 127,-0.1 -0.205 68.0 157.1 52.6-132.9 14.5 24.6 3.2 77 102 A G + 0 0 4 1,-0.2 -17,-3.2 11,-0.2 2,-1.0 0.476 21.0 129.5 99.8 1.5 11.1 24.3 1.4 78 103 A V E -F 59 0B 8 113,-0.3 2,-0.7 -19,-0.2 -1,-0.2 -0.799 34.0-175.6 -94.4 98.9 11.0 27.5 -0.7 79 104 A I E -F 58 0B 17 -21,-2.6 -21,-2.3 -2,-1.0 8,-0.0 -0.887 20.5-133.5-100.4 114.4 10.1 26.4 -4.2 80 105 A D E > -F 57 0B 39 -2,-0.7 3,-1.8 -23,-0.2 72,-0.2 -0.294 18.4-117.4 -64.1 147.7 10.1 29.2 -6.8 81 106 A A T 3 S+ 0 0 0 70,-0.9 -29,-1.0 -25,-0.5 -1,-0.1 0.730 116.9 42.9 -57.4 -25.7 7.2 29.6 -9.2 82 107 A D T 3 S+ 0 0 40 -31,-0.1 2,-0.5 -29,-0.1 -1,-0.3 0.233 81.1 119.6-108.4 8.1 9.8 29.0 -12.0 83 108 A Y < + 0 0 88 -3,-1.8 -33,-0.4 1,-0.1 -31,-0.1 -0.655 32.6 173.8 -73.4 123.4 11.7 26.1 -10.5 84 109 A R + 0 0 81 -2,-0.5 -1,-0.1 -35,-0.1 297,-0.1 0.316 41.8 99.5-118.5 4.5 11.3 23.1 -12.9 85 110 A G S S- 0 0 20 1,-0.2 -35,-0.4 -36,-0.1 2,-0.1 -0.201 87.1 -60.4 -82.8-177.5 13.6 20.6 -11.3 86 111 A P - 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